2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid

C13H16N2O3 — CID 79615008

IUPAC2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C13H16N2O3/c16-12(17)9-10-3-7-15(8-4-10)13(18)11-1-5-14-6-2-11/h1-2,5-6,10H,3-4,7-9H2,(H,16,17)
InChIKeyONMDAHOWPODJKS-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.41
Rot. Bonds3

About 2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid

2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 79615008) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
PubChem CID79615008
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C13H16N2O3/c16-12(17)9-10-3-7-15(8-4-10)13(18)11-1-5-14-6-2-11/h1-2,5-6,10H,3-4,7-9H2,(H,16,17)
InChIKeyONMDAHOWPODJKS-UHFFFAOYSA-N
XLogP1.41
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 79614725
2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid
CID 78980430
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
2-[1-(4-cyanobenzoyl)piperidin-4-yl]acetic acid
CID 78980423
2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid
CID 79612502
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide
CID 142457700
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
methyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate
CID 67800629
2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 113227915
2-[1-[4-(phenylsulfanylmethyl)benzoyl]piperidin-4-yl]acetic acid
CID 119178245

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid (CID 79615008) is 2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of 2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is ONMDAHOWPODJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(17)9-10-3-7-15(8-4-10)13(18)11-1-5-14-6-2-11/h1-2,5-6,10H,3-4,7-9H2,(H,16,17).
What are the key properties of 2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 248.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79615008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).